PubChemLite - Bis(2-(2-(propan-2-yl)-1,3-oxazolidin-3-yl)ethyl) hexane-1,6-diylbiscarbamate (C24H46N4O6)

Structural Information

Molecular Formula

SMILES

CC(C)C1N(CCO1)CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(C)C

InChI

InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)

InChIKey

KQYKAMMEDGWORJ-UHFFFAOYSA-N

Compound name

2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	487.34902	226.6
[M+Na]+	509.33096	223.3
[M-H]-	485.33446	229.3
[M+NH4]+	504.37556	230.9
[M+K]+	525.30490	224.6
[M+H-H2O]+	469.33900	217.1
[M+HCOO]-	531.33994	238.4
[M+CH3COO]-	545.35559	242.9
[M+Na-2H]-	507.31641	218.2
[M]+	486.34119	230.7
[M]-	486.34229	230.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.34902

226.6

[M+Na]+

509.33096

223.3

[M-H]-

485.33446

229.3

[M+NH4]+

504.37556

230.9

[M+K]+

525.30490

224.6

[M+H-H2O]+

469.33900

217.1

[M+HCOO]-

531.33994

238.4

[M+CH3COO]-

545.35559

242.9

[M+Na-2H]-

507.31641

218.2

[M]+

486.34119

230.7

[M]-

486.34229

230.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis(2-(2-(propan-2-yl)-1,3-oxazolidin-3-yl)ethyl) hexane-1,6-diylbiscarbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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